Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2820256 | 0.82 | CALM1 (0.73) | CALM1MAOBKDM4ECYP3A4ALDH1A1 | |
| SCHEMBL11273535 | 0.77 | CALM1 (0.46) | CALM1GAAMAOBKDM4ECYP1A2 | |
| SCHEMBL23130033 | 0.76 | CALM1 (0.44) | CALM1CCNB2CDK1CCNB1GSK3A | |
| Diphenylmethane SCHEMBL10336493 | 0.73 | CALM1 (0.80) | CALM1SMN1; SMN2TDP1NR1H2NR1H3 | |
| SCHEMBL10443772 | 0.73 | TUBB4A (0.64) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL6428533 | 0.73 | BCL2L1 (0.44) | CALM1HTTALDH1A1LMNAHPGD | |
| SCHEMBL216526 | 0.72 | ALDH1A1 (0.67) | KDM4EHTTTDP1CYP1A2CYP3A4 | |
| SCHEMBL2407662 | 0.71 | MAOB (0.45) | CALM1GAAMAOBKDM4ESMN1; SMN2 | |
| SCHEMBL30768162 | 0.71 | CALM1 (0.44) | CALM1MAOBCYP1A2CYP3A4CYP2D6 | |
| Tannin Pyrogallol SCHEMBL29187616 | 0.71 | CALM1 (0.75) | CALM1GAAHTTSMN1; SMN2TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1668070-A1 | OXYGEN SCAVENGER COMPOSITIONS DERIVED FROM ISOPHTHALIC ACID AND/OR TEREPHTHALIC ACID MONOMERS OR DERIVATIVES THEREOF | Cryovac, Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005030854-A1 | OXYGEN SCAVENGER COMPOSITIONS DERIVED FROM ISOPHTHALIC ACID AND/OR TEREPHTHALIC ACID MONOMERS OR DERIVATIVES THEREOF | CRYOVAC, INC. (US) | 2005-04-07 | — | — | WO | disclosed |